eQUMEC Software: Multiscale and Multiphysics Simulation/Designing of Li-Ion Batteries

Wednesday, 4 October 2017
Prince George's Exhibit Hall D/E (Gaylord National Resort and Convention Center)
H. Hosseinzadeh (Rowan University)
eQUMEC software has been developed to design Li-ion batteries and other electrochemical systems like Li-air batteries and hybrid supercapacitors. This software has a 3D user interface to design the shape of electrochemical cell and related internal components. Microstructure of active materials could be defined by user such as powders size, shape and density. Conductive and adhesive materials could be also added to active materials. Defining and adding any kinds of electrolytes would be very simple in this software. eQUMEC has a toolbox for applying different charge and discharge conditions (constant voltage or constant current). eQUMEC has also other modules for calculating temperature and stress evolution during charging and discharging. This software has several more options like battery management systems (BMS) and thermal management systems (TMS). At last, voltage vs capacity, current/voltage vs time, Li ions concentration evolution in Li-ion cell and several other outputs would be extracted via a successful simulation. eQUMEC has several computational algorithms. The main computational algorithm is a coupled multiscale/multiphysics Fickian approach for ionic diffusion in active materials, Poisson Equation solver for potential in electrolyte, related conservative equation solver for calculating temperature and other equations solver to capture phenomena at interface of active materials and electrolyte. This software could be used by researchers and designers at research institutes, universities and companies to simulate new Li-ion batteries performance.

Figure caption: eQUMEC software interface which is showing cathode powders, final cell shape and calculated profile of Li ions concentration during charging.